In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 32 | No |
Popular Name: (2S)-3-(4-bromobenzoyl)-2-(3,4-diethoxyphenyl)-4-hydroxy-1-(3-hydroxypropyl)-2H-pyrrol-5-one (2S)-3-(4-bromobenzoyl)-2-(3,4-d…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.22 | 7.47 | -57.32 | 1 | 7 | -1 | 99 | 503.369 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 6.73 | -15.52 | 2 | 7 | 0 | 96 | 504.377 | 10 | ↓ |